ethyl (E,4S)-4-[[(2S)-5-azanyl-2-[[(2S)-2-[(4-iodanyl-3-methyl-phenyl)carbonylamino]-3-methyl-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-6-methyl-hept-2-enoate

Systemtic Name: ethyl (E,4S)-4-[[(2S)-5-azanyl-2-[[(2S)-2-[(4-iodanyl-3-methyl-phenyl)carbonylamino]-3-methyl-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-6-methyl-hept-2-enoate Openeye Name: ethyl (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-2-[(4-iodo-3-methyl-benzoyl)amino]-3-methyl-butanoyl]amino]-5-oxo-pentanoyl]amino]-6-methyl-hept-2-enoate CAS Name: (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-2-[[(4-iodo-3-methylphenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-1,5-dioxopentyl]amino]-6-methyl-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-2-[(4-iodo-3-methylbenzoyl)amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-6-methylhept-2-enoate Traditional Name: (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-2-[(4-iodo-3-methyl-benzoyl)amino]-3-methyl-butanoyl]amino]-5-keto-pentanoyl]amino]-6-methyl-hept-2-enoic acid ethyl ester Formula: C28H41IN4O6 MolecularWeight: 656.55281

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)C)NC(=O)C1=CC(=C(C=C1)I)C

Isomeric SMILES

CCOC(=O)/C=C/[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)C1=CC(=C(C=C1)I)C

InChI

InChI=1S/C28H41IN4O6/c1-7-39-24(35)13-9-20(14-16(2)3)31-27(37)22(11-12-23(30)34)32-28(38)25(17(4)5)33-26(36)19-8-10-21(29)18(6)15-19/h8-10,13,15-17,20,22,25H,7,11-12,14H2,1-6H3,(H2,30,34)(H,31,37)(H,32,38)(H,33,36)/b13-9+/t20-,22+,25+/m1/s1